Re: [ccp4bb] Kabat, insertion codes & refinement

2014-06-16 Thread Eric Bennett
any person > unless specifically indicated by agreement in writing other than email. > > > Monitoring: AstraZeneca UK Limited may monitor email traffic data and content > for the purposes of the prevention and detection of crime, ensuring the > security of our computer systems

Re: [ccp4bb] Off topic: Homology modeling

2014-05-22 Thread Eric Bennett
protein. > > What is the best method and software to do homology modeling while I try to > get the crystal? Is the ligand binding site prediction reliable? There is no > available experimental data on this protein except to sugest it is some type > of ion transport. > > Thank

Re: [ccp4bb] Stereo monitor

2013-11-21 Thread Eric Bennett
modern man in a post-modern world >MacCHESS, Cornell University > schul...@cornell.edu -- Eric Bennett, er...@pobox.com Always try to associate yourself with and learn as much as you can from those who know more than

Re: [ccp4bb] delete subject

2013-03-28 Thread Eric Bennett
Scott, I'm not sure I understand your last paragraph. Once researchers have had their data pass peer review (which I interpret as meaning a journal has accepted it), how often do you think it happens that it does not immediately get published? Just depositing data in the PDB, or posting it on

Re: [ccp4bb] Off-topic: Best Scripting Language

2012-09-13 Thread Eric Bennett
On Sep 12, 2012, at 2:28 PM, Ethan Merritt wrote: >> Why are you dis-ing python? Seems everybody loves it... > > I'm sure you can google for many "reasons I hate Python" lists. > > Mine would start > 1) sensitive to white space == fail > 2) dynamic typing makes it nearly impossible to verify pr

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-04-07 Thread Eric Bennett
I doubt many people completely fail to archive data but maintaining data archives can be a pain so I'm not sure what the useful age of the average archive is. Do people who archived to tape keep their tapes in a format that can be read by modern tape drives? Do people who archived data to a ha

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-04-04 Thread Eric Bennett
Then everyone's data can be lost at once in the next cloud failure. Progress! "The hardware failed in such a way that we could not forensically restore the data. What we were able to recover has been made available via a snapshot, although the data is in such a state that it may have little

Re: [ccp4bb] All-D World

2012-02-15 Thread Eric Bennett
Jacob, I wish it were that cheery. Do not forget the darker side of history. The prefix "L-" stands for levorotary. The "levo" comes from the Latin wording for "left side". Left handedness is also known as sinistrality, from the Latin "sinistra" which also meant the left side, but over time

Re: [ccp4bb] more Computer encryption matters

2011-08-18 Thread Eric Bennett
For anything other than the most intensive I/O operations, recent processors will give you very respectable performance. I don't encrypt whole drives but I do have some AES-encrypted disk images in Snow Leopard, and I get about 38 MB/sec throughput copying (using cp) and 60 MB/sec reading (whil

Re: [ccp4bb] Computer encryption matters

2011-08-18 Thread Eric Bennett
John, Since so many people have said it's flawless, I'd like to point out this is not always the case. The particular version of the particular package that we have installs some system libraries that caused a program I use on a moderately frequent basis to crash every time I tried to open a f

Re: [ccp4bb] unusual sighting of a crystal structure

2011-07-17 Thread Eric Bennett
It would be even scarier if they used an NMR structure. -Eric On Jul 16, 2011, at 1:20 PM, Robbie Joosten wrote: > Hi Artem, > > Thank for that nice example of a protein structure used to pimp a movie. > Ribbon representations are always the scariest. > > Cheers, > Robbie

Re: [ccp4bb] Stereo solution with Nvidia '3D vision' or '3D vision pro'

2011-05-10 Thread Eric Bennett
Nvidia lists that monitor on their list of supported hardware: http://www.nvidia.com/object/3d-vision-requirements.html They even sell some Acer monitors in their online store although they are labeled in conflicting ways. I tried upgrading the driver yesterday to the 270.41.06 version but it di

Re: [ccp4bb] Stereo solution with Nvidia '3D vision' or '3D vision pro'

2011-05-06 Thread Eric Bennett
We recently had issues setting up a 3D projector and have tried lots of combinations of monitors, drivers, cards, glasses, etc. The answer seems to be that interchangeability is very complicated and you won't know unless you try it. For example, with the last version of the Nvidia driver I te

Re: [ccp4bb] what to do with disordered side chains

2011-04-03 Thread Eric Bennett
Most non-structural users are familiar with the sequence of the proteins they are studying, and most software does at least display residue identity if you select an atom in a residue, so usually it is not necessary to do any cross checking besides selecting an atom in the residue and seeing wha

Re: [ccp4bb] The meaning of B-factor, was Re: [ccp4bb] what to do with disordered side chains

2011-04-01 Thread Eric Bennett
Personally I think it is a _good_ thing that those missing atoms are a pain, because it helps ensure you are aware of the problem. As somebody who is in the business of supplying non-structural people with models, and seeing how those models are sometimes (mis)interpreted, I think it's better t

Re: [ccp4bb] Question on calculation of RMSD

2010-11-14 Thread Eric Bennett
ellow Strcutural Biology Program Memorial Sloan-Kettering Cancer Center New York-10021 NY 001 212 639 7986 (Lab) 001 917 674 6266 (Mobile) -- -- Eric Bennett, er...@pobox.com Drawing on my fine command of the language, I said nothing. -Robert Benchley

Re: [ccp4bb] Rosetta vs Modeller

2009-12-16 Thread Eric Bennett
Subhendu wrote: Hi everyone, I am currently in the process of solving some antigen-antibody complex structures. I was wondering if people here have used Modeller and Rosetta for homology modeling and have any recommendations.I would like to build the model of the antigen/antibody to the know

[ccp4bb] map deposition (was: Retraction of 12 Structures...)

2009-12-12 Thread Eric Bennett
Robbie Joosten wrote: I think the deposition of maps is a waste of space. Maps may describe what the depositors want you to think they have looked at. But that does not mean they looked at the right thing. Who knows what they did to the maps in terms of (unwarrented) density modefication to make

Re: [ccp4bb] FW: pdb-l: Retraction of 12 Structures....?

2009-12-12 Thread Eric Bennett
Dear Fred, People have already done this for all PDB entries: - http://eds.bmc.uu.se/eds/ : maps and many crystallographic stats - http://www.cmbi.ru.nl/pdb_redo : maps and re-refinement. And yes, the stats and maps do improve most of the time, unfortunately also for structures that are not

Re: [ccp4bb] FW: pdb-l: Retraction of 12 Structures....

2009-12-11 Thread Eric Bennett
fully specify all software settings required to get the same map (perhaps they used NCS but you have to re-determine the NCS yourself)... etc. -- Eric Bennett, er...@pobox.com

Re: [ccp4bb] Rfree in similar data set

2009-09-24 Thread Eric Bennett
Ian Tickle wrote: For that to be true it would have to be possible to arrive at a different unbiased Rfree from another starting point. But provided your starting point wasn't a local maximum LL and you haven't gotten into a local maximum along the way, convergence will be to a unique global ma

Re: [ccp4bb] images

2009-03-21 Thread Eric Bennett
Kay Diederichs wrote: In this case the structure factors were deposited, but these do not have a column for the anomalous signal. Re-refinement with these structure factors was inconclusive. If I could have downloaded the images, I could have investigated this easily, because there's a large

Re: [ccp4bb] fake images

2009-03-20 Thread Eric Bennett
Bernhard Rupp wrote: I only scratched the surface and I think it would be hard work to fake the images in a way that later expert forensics would not readily provide evidence. Also, there are 'watermarks' available from cryptographic methods that are even 'post-processing' resistant. A practi

Re: [ccp4bb] stereo with Nvidia Quadro

2008-05-08 Thread Eric Bennett
pensive. If you are on a budget maybe you could snag an older used card online somewhere. -- -- Eric Bennett Hofstadter's Law: It always takes longer than you expect, even when you take into account Hofstadter's Law.